8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0078 |
| Compound Name: | 8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 361.89 |
| Molecular Formula: | C15 H23 N3 O3 S |
| Salt: | HCl |
| Smiles: | CS(N1CCCNCCNC(CC1c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5505 |
| logD: | -2.0713 |
| logSw: | -2.0767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.228 |
| InChI Key: | BVUHKMXOSKZKTK-AWEZNQCLSA-N |